6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

C42H37Cl3F12N12O9S2 — CID 167684908

IUPAC6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESCOC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.COC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ccc(Cl)cn34)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cl.O=C(O)c1c(C(F)F)nc2ccc(Cl)cn12
InChIInChI=1S/C21H17ClF6N6O4S.C12H14F4N4O3S.C9H5ClF2N2O2.ClH/c1-38-20-31-33(6-7-34(20)39(36,37)21(26,27)28)14-4-2-11(8-13(14)23)9-29-19(35)17-16(18(24)25)30-15-5-3-12(22)10-32(15)17;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;10-4-1-2-5-13-6(8(11)12)7(9(15)16)14(5)3-4;/h2-5,8,10,18H,6-7,9H2,1H3,(H,29,35);2-3,6H,4-5,7,17H2,1H3;1-3,8H,(H,15,16);1H
InChIKeyZHMSAHXGCFPYEO-UHFFFAOYSA-N
MW1252.30 g/mol
LogP8.10
Rot. Bonds11

About 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167684908) has the molecular formula C42H37Cl3F12N12O9S2 and a molecular weight of 1252.30 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
PubChem CID167684908
Molecular FormulaC42H37Cl3F12N12O9S2
Molecular Weight1252.30 g/mol
Exact Mass1250.11
IUPAC Name6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESCOC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.COC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ccc(Cl)cn34)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cl.O=C(O)c1c(C(F)F)nc2ccc(Cl)cn12
InChIInChI=1S/C21H17ClF6N6O4S.C12H14F4N4O3S.C9H5ClF2N2O2.ClH/c1-38-20-31-33(6-7-34(20)39(36,37)21(26,27)28)14-4-2-11(8-13(14)23)9-29-19(35)17-16(18(24)25)30-15-5-3-12(22)10-32(15)17;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;10-4-1-2-5-13-6(8(11)12)7(9(15)16)14(5)3-4;/h2-5,8,10,18H,6-7,9H2,1H3,(H,29,35);2-3,6H,4-5,7,17H2,1H3;1-3,8H,(H,15,16);1H
InChIKeyZHMSAHXGCFPYEO-UHFFFAOYSA-N
XLogP8.10
TPSA251.44 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001252.30
LogP ≤ 58.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride with MolForge

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Related Compounds

6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160012
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160109
6-chloro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 156160191
6,8-dichloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126393
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165413711
6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413712
6-chloro-2-ethyl-8-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413719
6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413751
6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165414139
6-chloro-2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413878
N-(5-chloro-2-pyridinyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 157950318
tert-butyl 6-(difluoromethoxy)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(difluoromethoxy)-2-azaspiro[3.3]heptane;[4-[6-(difluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;6-(difluoromethoxy)-2-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;1-fluoro-4-isocyanobenzene
CID 158911668

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167684908) is 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.COC1=NN(c2ccc(CNC(=O)c3c(C(F)F)nc4ccc(Cl)cn34)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cl.O=C(O)c1c(C(F)F)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The InChIKey is ZHMSAHXGCFPYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF6N6O4S.C12H14F4N4O3S.C9H5ClF2N2O2.ClH/c1-38-20-31-33(6-7-34(20)39(36,37)21(26,27)28)14-4-2-11(8-13(14)23)9-29-19(35)17-16(18(24)25)30-15-5-3-12(22)10-32(15)17;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;10-4-1-2-5-13-6(8(11)12)7(9(15)16)14(5)3-4;/h2-5,8,10,18H,6-7,9H2,1H3,(H,29,35);2-3,6H,4-5,7,17H2,1H3;1-3,8H,(H,15,16);1H.
What are the key properties of 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1252.30 g/mol, XLogP of 8.10, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethyl)-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167684908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).